1-(2,2-difluoropropyl)indol-5-amine

C11H12F2N2 — CID 165472066

IUPAC1-(2,2-difluoropropyl)indol-5-amine
SMILESCC(F)(F)Cn1ccc2cc(N)ccc21
InChIInChI=1S/C11H12F2N2/c1-11(12,13)7-15-5-4-8-6-9(14)2-3-10(8)15/h2-6H,7,14H2,1H3
InChIKeyABKLQRCLCIHHKQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.88
Rot. Bonds2

About 1-(2,2-difluoropropyl)indol-5-amine

1-(2,2-difluoropropyl)indol-5-amine (PubChem CID 165472066) has the molecular formula C11H12F2N2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)indol-5-amine.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)indol-5-amine
PubChem CID165472066
Molecular FormulaC11H12F2N2
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-(2,2-difluoropropyl)indol-5-amine
SMILESCC(F)(F)Cn1ccc2cc(N)ccc21
InChIInChI=1S/C11H12F2N2/c1-11(12,13)7-15-5-4-8-6-9(14)2-3-10(8)15/h2-6H,7,14H2,1H3
InChIKeyABKLQRCLCIHHKQ-UHFFFAOYSA-N
XLogP2.88
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)indol-5-amine?
The IUPAC name of 1-(2,2-difluoropropyl)indol-5-amine (CID 165472066) is 1-(2,2-difluoropropyl)indol-5-amine.
What is the SMILES notation for 1-(2,2-difluoropropyl)indol-5-amine?
The canonical SMILES for 1-(2,2-difluoropropyl)indol-5-amine is CC(F)(F)Cn1ccc2cc(N)ccc21.
What is the InChIKey of 1-(2,2-difluoropropyl)indol-5-amine?
The InChIKey is ABKLQRCLCIHHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2/c1-11(12,13)7-15-5-4-8-6-9(14)2-3-10(8)15/h2-6H,7,14H2,1H3.
What are the key properties of 1-(2,2-difluoropropyl)indol-5-amine?
1-(2,2-difluoropropyl)indol-5-amine has a molecular weight of 210.23 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)indol-5-amine is sourced from PubChem (CID 165472066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).